CAS Registry Number®

1310680-28-4

Molecular Formula

C25H22BrNO4

Molecular Mass

480.35

Cite this Page

.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1310680-28-4 (retrieved 2024-11-23) (CAS RN: 1310680-28-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H22BrNO4/c1-25(23(28)29,14-16-10-12-17(26)13-11-16)27-24(30)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3,(H,27,30)(H,28,29)/t25-/m0/s1

InChIKey

InChIKey=PSVZPFIZDGCWIL-VWLOTQADSA-N

SMILES

C(OC(N[C@@](CC1=CC=C(Br)C=C1)(C(O)=O)C)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3

Canonical SMILES

O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)(C)CC4=CC=C(Br)C=C4

Other Names for this Substance

  • (2S)-3-(4-Bromophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methylpropanoic acid

CAS INSIGHTSTM
Hourglass and a clock